2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxylic acid

Systemtic Name: 2-(2-methylphenyl)-1,3-bis(oxidanylidene)isoindol-2-ium-2-carboxylic acid Openeye Name: 2-(o-tolyl)-1,3-dioxo-isoindolin-2-ium-2-carboxylic acid CAS Name: 2-(2-methylphenyl)-1,3-dioxo-2-isoindol-2-iumcarboxylic acid IUPAC Name: 2-(2-methylphenyl)-1,3-dioxoisoindol-2-ium-2-carboxylic acid Traditional Name: 1,3-diketo-2-(o-tolyl)isoindolin-2-ium-2-carboxylic acid Formula: C16H12NO4+ MolecularWeight: 282.27078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1[N+]2(C(=O)C3=CC=CC=C3C2=O)C(=O)O

InChI

InChI=1S/C16H11NO4/c1-10-6-2-5-9-13(10)17(16(20)21)14(18)11-7-3-4-8-12(11)15(17)19/h2-9H,1H3/p+1